2-[(4-ethoxyphenyl)methyl]piperidine hydrochloride

• ChemBase ID: 806784
• Molecular Formular: C14H22ClNO
• Molecular Mass: 255.78358
• Monoisotopic Mass: 255.13899201
• SMILES: Cl.C1CCNC(C1)Cc1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)CC1CCCCN1.Cl
• InChI: InChI=1S/C14H21NO.ClH/c1-2-16-14-8-6-12(7-9-14)11-13-5-3-4-10-15-13;/h6-9,13,15H,2-5,10-11H2,1H3;1H
• InChIKey: AMGQPTFYAPJFOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-ethoxyphenyl)methyl]piperidine hydrochloride
• IUPAC Traditional name: 2-[(4-ethoxyphenyl)methyl]piperidine hydrochloride
• Synonyms: 2-(4-ETHOXY-BENZYL)-PIPERIDINE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.29616544
• LogD (pH = 7.4): 0.29372036
• Log P: 2.9295259
• Molar Refractivity: 67.085 cm^3
• Polarizability: 26.480993 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%